ethylamino-[4-(trifluoromethyl)-8-azaspiro[4.5]decan-3-yl]methanol

C13H23F3N2O — CID 163884597

IUPACethylamino-[4-(trifluoromethyl)-8-azaspiro[4.5]decan-3-yl]methanol
SMILESCCNC(O)C1CCC2(CCNCC2)C1C(F)(F)F
InChIInChI=1S/C13H23F3N2O/c1-2-18-11(19)9-3-4-12(5-7-17-8-6-12)10(9)13(14,15)16/h9-11,17-19H,2-8H2,1H3
InChIKeyPWGNXROFLAPHGL-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.87
Rot. Bonds3

About ethylamino-[4-(trifluoromethyl)-8-azaspiro[4.5]decan-3-yl]methanol

ethylamino-[4-(trifluoromethyl)-8-azaspiro[4.5]decan-3-yl]methanol (PubChem CID 163884597) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is ethylamino-[4-(trifluoromethyl)-8-azaspiro[4.5]decan-3-yl]methanol.

Molecular Properties

Compound Nameethylamino-[4-(trifluoromethyl)-8-azaspiro[4.5]decan-3-yl]methanol
PubChem CID163884597
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Nameethylamino-[4-(trifluoromethyl)-8-azaspiro[4.5]decan-3-yl]methanol
SMILESCCNC(O)C1CCC2(CCNCC2)C1C(F)(F)F
InChIInChI=1S/C13H23F3N2O/c1-2-18-11(19)9-3-4-12(5-7-17-8-6-12)10(9)13(14,15)16/h9-11,17-19H,2-8H2,1H3
InChIKeyPWGNXROFLAPHGL-UHFFFAOYSA-N
XLogP1.87
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethylamino-[4-(trifluoromethyl)-8-azaspiro[4.5]decan-3-yl]methanol?
The IUPAC name of ethylamino-[4-(trifluoromethyl)-8-azaspiro[4.5]decan-3-yl]methanol (CID 163884597) is ethylamino-[4-(trifluoromethyl)-8-azaspiro[4.5]decan-3-yl]methanol.
What is the SMILES notation for ethylamino-[4-(trifluoromethyl)-8-azaspiro[4.5]decan-3-yl]methanol?
The canonical SMILES for ethylamino-[4-(trifluoromethyl)-8-azaspiro[4.5]decan-3-yl]methanol is CCNC(O)C1CCC2(CCNCC2)C1C(F)(F)F.
What is the InChIKey of ethylamino-[4-(trifluoromethyl)-8-azaspiro[4.5]decan-3-yl]methanol?
The InChIKey is PWGNXROFLAPHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-2-18-11(19)9-3-4-12(5-7-17-8-6-12)10(9)13(14,15)16/h9-11,17-19H,2-8H2,1H3.
What are the key properties of ethylamino-[4-(trifluoromethyl)-8-azaspiro[4.5]decan-3-yl]methanol?
ethylamino-[4-(trifluoromethyl)-8-azaspiro[4.5]decan-3-yl]methanol has a molecular weight of 280.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylamino-[4-(trifluoromethyl)-8-azaspiro[4.5]decan-3-yl]methanol is sourced from PubChem (CID 163884597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).